⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27679563 | 0.87 | — | — | |
| SCHEMBL166257 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL527146 | 0.75 | — | — | |
| SCHEMBL3744890 | 0.75 | — | — | |
| SCHEMBL9423060 | 0.75 | — | — | |
| SCHEMBL23911675 | 0.75 | — | — | |
| SCHEMBL3945916 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL537369 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL15720668 | 0.75 | — | — | |
| Water SCHEMBL2566250 | 0.75 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2395853-A1 | METHOD FOR DETOXIFYING PLANT CONSTITUENTS | Makkar, Harinder (IT) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010092143-A1 | METHOD FOR DETOXIFYING PLANT CONSTITUENTS | MAKKAR HARINDER (DE) | 2010-08-19 | — | — | WO | disclosed |